General Information of the Compound
| Compound ID |
CP0566368
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| Compound Name |
US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-4,5,6-trifluoro-benzothiazole-7-sulfonic acid amide
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| Structure |
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| Formula |
C11H8F3N5O2S2
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| Molecular Weight |
363.346
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2c(F)c(F)c(F)c(c2s1)S(N)(=O)=O
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| InChI |
InChI=1S/C11H8F3N5O2S2/c1-2-3(10(15)19-18-2)11-17-7-5(13)4(12)6(14)9(8(7)22-11)23(16,20)21/h1H3,(H3,15,18,19)(H2,16,20,21)
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| InChIKey |
SJZFSDRSUJHBEQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound